Electric Multipoles, Polarizabilities and Hyperpolarizabilities

In this article only the response to the electric field will be treated. Magnetic effects were also included in an earlier SPR1, but the great expansion of the field in recent years has necessitated a sub-division of the material. Specific applications in optoelectronics and reviews of molecules currently of direct interest in that field can be found in a number of books and edited volumes.2-9 Effects interpretable only through quantum electrodynamics are treated in the books by Loudon10 and by Craig and Thirunamachandran.11 

The plan of this review is as follows Sections 2 and 3 attempt to give an overview of the general theory for static and dynamic effects respectively. 

Chemical Modelling Applications and Theory, Volume 1 The Royal Society of Chemistry, 2000 

Section 4 describes specific methods of calculation, with some emphasis on new developments in the period from about 1970 to the present. Section 5 is a literature review of the period 1998-May 1999. 

2 Perturbation of Molecules by Static Electric Fields General Theory 

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D. Pugh, Electric multipoles, polarizabilities and hyperpolarizabilities, in Chemical Modelling Applications and Theory, vol. 1. The Royal Society of Chemistiy, London, pp. 1-37 (2000)... 

The Non-Homogeneous Electric Field Multipole Polarizabilities and Hyperpolarizabilities How to Calculate the Dipole Momeut ( ( ))... 

The Non-Homogeneous Electric Field Multipole Polarizabilities and Hyperpolarizabilities... 

Chapter 1 of the first volume of this series of Speeiahst Periodical Reports was entitled Eleetric Multipoles, Polarizabilities and Hyperpolarizabilities . A brief overview of the period up to 1998 was given, followed by the review of 1998-1999. Magnetic effects were not included. In the present article the aim is to provide the same kind of brief historical introduction to magnetic effects and then to review the literature on both electric field and magnetic field response fimctions for the period June 1999-May 2001. 

The interaction of higher multipoles (permanent as well as induced first, the octupole with the corresponding octupole polarizabilities and hyperpolarizabilities, etc.) with the higher derivatives of electric field together with the corresponding cross terms denoted as H-... 

Kjaer el al. have performed a benchmark study of a combined multipole spin-spin coupling constant polarizability/reaction field (MJP/RF) approach to the calculation of both specific and bulk solvation effects on coupling in solvated molecule. The MJP/RF approach was based on the expansion of couplings of the solvated molecule in terms of coupling dipole and quadrupole polarizabilities and hyperpolarizabilities derived from single ab initio calculations, and on taking into account solvent electric field and electric field gradient calculated by molecular dynamics (MD)... 

Electric Multipoles, Polarizabilities, Hyperpolarizabilities and Analogous Magnetic Properties... 

G. Maroulis, A systematic study of basis set, electron ctmelation, and geometry effects on the electric multipole moments, polarizability, and hyperpolarizability of HCl. J. Chem. Phys. 108(13), 5432-5448 (1998)... 

G. Maroulis, Accurate electric multipole moment, static polarizability and hyperpolarizability derivatives for N2. J. Chem. Phys. 118(6), 2673-2687 (2003)... 

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